| SpectraBase Compound ID | GEgGQGOwDRP |
|---|---|
| InChI | InChI=1S/C11H8N2O3/c14-11-2-1-7-12(8-11)9-3-5-10(6-4-9)13(15)16/h1-8H |
| InChIKey | HOZXGTPBIMWXNG-UHFFFAOYSA-N |
| Mol Weight | 216.2 g/mol |
| Molecular Formula | C11H8N2O3 |
| Exact Mass | 216.053492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1GjY2enmoAR |
|---|---|
| Name | Pyridinium, 3-hydroxy-1-(4-nitrophenyl)-, hydroxide, inner salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.053492123 u |
| Formula | C11H8N2O3 |
| InChI | InChI=1S/C11H8N2O3/c14-11-2-1-7-12(8-11)9-3-5-10(6-4-9)13(15)16/h1-8H |
| InChIKey | HOZXGTPBIMWXNG-UHFFFAOYSA-N |
| Molecular Weight | 216.196 g/mol |
| SMILES | C1([O-])=C[N+](C2=CC=C(C=C2)N(=O)=O)=CC=C1 |